Geometry & MOs

Info

ID:

47068

PubChem CID:

10529317

Reduced:

SN5O7C21H31 (1)

Stoich.:

AB5C7D21E31 (1)

Weight, g/mol:

498.11279

ΔHf, kcal/mol:

-266.37

Dipole, Da:

4.89

IP(EA), eV:

 -9.88(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[(3aR,4R,6R,6aR)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-cyclohexyl-5-iodopyrrolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)N[C@@H](CNC(=O)C2=NOC(C2)CCCCNC(=O)N)C(=O)O)C

DOS

IR

Vibrations